Target
Envelope glycoprotein gp160
Ligand
BDBM54136
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay
IC50
2300±500 nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay PubChem Bioassay (2010)[AID] 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
envelope glycoprotein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
91798.58
Organism:
Human immunodeficiency virus 1
Description:
gi_45357394
Residue:
814
Sequence:
MRVKGIRRNYQHLWRWGTMLLGMLMICSAKEQLWVTAYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPREVVMGNVTEEFNIWNNSMVEQMHEDIISLWDESLKPCVKLTPLCVTFNCTNYNGTRNGTTTEPPEVKNCTTKETGIKNCSFNIATSGVEDRFKKEYALLYTADIVQIDNSSINYTLIGCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGKGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEVVIRSDNFSDNAKTIIVQLKDPVVINCTRPNNNTRKGIRIGPGRTFYTTERIIGDIRQAHCNISRTQWNNTLRLIAAKLKKQFNNKTIIFRNSSGGDPEIVMHSFNCGGEFFYCNTTQLFNSTWVHNNTWVHNNTGNDTEEGTITLPCRIKQIINMWQEVGKAMYAPPIKGQIRCSSNITGLILTRDGGNTSSNNETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKARRRVVQREKRAVGMLGAMFLGFLGAAGSTMGAASLALTVQARQVVSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLGDQQLLGIWGCSGKLICTTAVPWNDSWSNKSLKYIWDNMTWMQWEKEIDIHVDTIYQLLEASQYQQEKNEKDLLELDKWESLWNWFDITNWLWYIKIFIMIVGGLIGLRIVFTVLSIVNRVRQGYSPLSLQTRLPTQRGPDRPEGIEEEGGERQRHIRSISEWILNNYPGRPAEPVPLQLPPLERLTLDCNEDCGTSGTQGVGSPQVFVESPPVLESGTKEECC
  
Inhibitor
Name:
BDBM54136
Synonyms:
2-[[(Z)-[1,3-diketo-2-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-isoquinolylidene]methyl]amino]benzoic acid | 2-[[(Z)-[2-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methyl]amino]benzoic acid | 2-[[(Z)-[2-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-dioxo-4-isoquinolinylidene]methyl]amino]benzoic acid | 2-[[(Z)-[2-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-dioxoisoquinolin-4-ylidene]methyl]amino]benzoic acid | MLS000776209 | SMR000371212 | cid_6163965
Type:
Small organic molecule
Emp. Form.:
C30H23N3O7S
Mol. Mass.:
569.585
SMILES:
COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O |w:23.25|
Structure:
Search PDB for entries with ligand similarity: